CID 38324

Brn 1127897

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₂

SMILES

CC1=CC(=CC(=C1C(=O)NCCN2CCOCC2)C)N

InChI

InChI=1S/C15H23N3O2/c1-11-9-13(16)10-12(2)14(11)15(19)17-3-4-18-5-7-20-8-6-18/h9-10H,3-8,16H2,1-2H3,(H,17,19)

InChIKey

PJKDRPSVSBTBIO-UHFFFAOYSA-N

Compound name

4-amino-2,6-dimethyl-N-(2-morpholin-4-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.17902 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.186296	169.0
[M+Na]+	300.168238	173.3
[M-H]-	276.171744	173.8
[M+NH4]+	295.212843	181.5
[M+K]+	316.142178	171.1
[M+H-H2O]+	260.176280	160.1
[M+HCOO]-	322.177221	187.5
[M+CH3COO]-	336.192871	205.3
[M+Na-2H]-	298.153686	170.6
[M]+	277.17847142	165.5
[M]-	277.17956858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.